AI49137
373-49-9 | (9Z)-hexadec-9-enoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI49137
ChemicalName
(9Z)-hexadec-9-enoic acid
CasNumber
373-49-9
MolecularFormula
C16H30O2
MolecularWeight
254.4082
MdlNumber
MFCD00004437
Smiles
CCCCCCC=CCCCCCCCC(=O)O
Complexity
209
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
13
Xlogp3
6.4
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CatalogNumber: AI49137
ChemicalName: (9Z)-hexadec-9-enoic acid
CasNumber: 373-49-9
MolecularFormula: C16H30O2
MolecularWeight: 254.4082
MdlNumber: MFCD00004437
Smiles: CCCCCCC=CCCCCCCCC(=O)O
Complexity: 209
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 13
Xlogp3: 6.4
CatalogNumber:
AI49137
ChemicalName:
(9Z)-hexadec-9-enoic acid
CasNumber:
373-49-9
MolecularFormula:
C16H30O2
MolecularWeight:
254.4082
MdlNumber:
MFCD00004437
Smiles:
CCCCCCC=CCCCCCCCC(=O)O
Complexity:
209
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
13
Xlogp3:
6.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCOCCN1CCN(CC1)C(c1ccccc1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCOCCN1CCN(CC1)C(c1ccccc1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCC1OC(OC2C(O)C(O)OC(C2O)COC2OC(CO)C(C(C2O)O)O)C(C(C1O)OC1OC(CO)C(C(C1O)OC1OC(COC2OC(CO)C(C(C2O)O)O)C(C(C1O)OC1OC(CO)C(C(C1O)O)O)O)O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCC1OC(OC2C(O)C(O)OC(C2O)COC2OC(CO)C(C(C2O)O)O)C(C(C1O)OC1OC(CO)C(C(C1O)OC1OC(COC2OC(CO)C(C(C2O)O)O)C(C(C1O)OC1OC(CO)C(C(C1O)O)O)O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI49140
ChemicalName: Denatonium benzoate
CasNumber: 3734-33-6
MolecularFormula: C28H34N2O3
MolecularWeight: 446.5812
MdlNumber: MFCD00031578
Smiles: [O-]C(=O)c1ccccc1.CC[N+](Cc1ccccc1)(CC(=O)Nc1c(C)cccc1C)CC
Complexity: 473
Covalently-bondedUnitCount: 2
DefinedBondStereocenterCount: __
HeavyAtomCount: 33
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 7
Xlogp3: __
CatalogNumber:
AI49140
ChemicalName:
Denatonium benzoate
CasNumber:
3734-33-6
MolecularFormula:
C28H34N2O3
MolecularWeight:
446.5812
MdlNumber:
MFCD00031578
Smiles:
[O-]C(=O)c1ccccc1.CC[N+](Cc1ccccc1)(CC(=O)Nc1c(C)cccc1C)CC
Complexity:
473
Covalently-bondedUnitCount:
2
DefinedBondStereocenterCount:
__
HeavyAtomCount:
33
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
7
Xlogp3:
__